| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Atomistic Simulations for Grain Boundary Migration and Texture Evolution in Mg Alloys |
| Author(s) |
Vaidehi Menon, Liang Qi |
| On-Site Speaker (Planned) |
Vaidehi Menon |
| Abstract Scope |
Recrystallization in Mg alloys can weaken or randomize the as-deformed texture and improve their ductility and formability. Experimental studies have identified a strong rare earth element effect and other solute combinations that cause this phenomena in Mg alloys with micro-scale grain sizes. Solute drag/pinning effects are commonly cited reasons for these texture changes during recrystallization, however, the underlying mechanisms of GB migration are not well-enumerated for HCP systems like Mg. We use molecular dynamics (MD) methods to systematically study individual GB migration events like GB disconnection creation and motion in bicrystal geometries, emphasizing low driving force regimes close to realistic grain growth. We also use accelerated MD methods to build energy landscapes for solutes (like Y and Al, in dilute concentrations) moving within or near non-equilibrium GB configurations to understand the impact of solute diffusivities on GB migration in the context of Cahn’s impurity drag model. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Magnesium, Mechanical Properties, Computational Materials Science & Engineering |